3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide

C11H21ClN2O2 — CID 62728135

IUPAC3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)C(C)CCl
InChIInChI=1S/C11H21ClN2O2/c1-4-14(5-2)10(15)6-7-13-11(16)9(3)8-12/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyYZVVFFVXCISCOA-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.24
Rot. Bonds7

About 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide

3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide (PubChem CID 62728135) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
PubChem CID62728135
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)C(C)CCl
InChIInChI=1S/C11H21ClN2O2/c1-4-14(5-2)10(15)6-7-13-11(16)9(3)8-12/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyYZVVFFVXCISCOA-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
CID 82110412
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 113363370
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N,N-diethyl-3-(methylcarbamoylamino)propanamide
CID 115588408
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
CID 63665762
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
CID 113225823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide (CID 62728135) is 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide is CCN(CC)C(=O)CCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide?
The InChIKey is YZVVFFVXCISCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c1-4-14(5-2)10(15)6-7-13-11(16)9(3)8-12/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide?
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 248.75 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 62728135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).